3-(2-chloranyl-5-nitro-phenyl)-3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)propanenitrile

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-3-oxidanylidene-2-(4-phenyl-1,3-thiazol-2-yl)propanenitrile Openeye Name: 3-(2-chloro-5-nitro-phenyl)-3-oxo-2-(4-phenylthiazol-2-yl)propanenitrile CAS Name: 3-(2-chloro-5-nitrophenyl)-3-oxo-2-(4-phenyl-2-thiazolyl)propanenitrile IUPAC Name: 3-(2-chloro-5-nitrophenyl)-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)propanenitrile Traditional Name: 3-(2-chloro-5-nitro-phenyl)-3-keto-2-(4-phenylthiazol-2-yl)propionitrile Formula: C18H10ClN3O3S MolecularWeight: 383.8083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC(=N2)C(C#N)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC(=N2)C(C#N)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H10ClN3O3S/c19-15-7-6-12(22(24)25)8-13(15)17(23)14(9-20)18-21-16(10-26-18)11-4-2-1-3-5-11/h1-8,10,14H